10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1191
Name:tetradecamethylcycloheptasiloxane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetradecamethylcycloheptasiloxane (D7)
Labels:
CAS:107-50-6
InChi Code:InChI=1S/C14H42O7Si7/c1-22(2)15-23(3,4)17-25(7,8)19-27(11,12)21-28(13,14)20-26(9,10)18-24(5,6)16-22/h1-14H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.480825461

experimental value

2.2345

Tab2.Model_5: Metab. biotransf. fish (Training set)

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